2-[[4-(azepan-1-ylsulfonyl)phenyl]carbonyl-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-azanium

Systemtic Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]carbonyl-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-azanium Openeye Name: 2-[[4-(azepan-1-ylsulfonyl)benzoyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium CAS Name: 2-[[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylammonium IUPAC Name: 2-[[4-(azepan-1-ylsulfonyl)benzoyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium Traditional Name: 2-[[4-(azepan-1-ylsulfonyl)benzoyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium Formula: C27H37N4O3S2+ MolecularWeight: 529.73768

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(C=CC=C2S1)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(C=CC=C2S1)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C27H36N4O3S2/c1-4-29(5-2)19-20-31(27-28-25-21(3)11-10-12-24(25)35-27)26(32)22-13-15-23(16-14-22)36(33,34)30-17-8-6-7-9-18-30/h10-16H,4-9,17-20H2,1-3H3/p+1